@MOLECULE (2R)-1-cyclohexyl-2-methyl-butan-1-one 32 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.1697 -1.0400 0.0390 C.3 1 UNL11111111 -0.4392 2 C 3.0268 -0.2372 -0.5779 C.3 1 UNL11111111 -0.2433 3 C 1.8456 -0.0822 0.3931 C.3 1 UNL11111111 -0.1983 4 H 1.6102 -1.0770 0.8414 H 1 UNL11111111 0.1512 5 C 2.1525 0.9198 1.5088 C.3 1 UNL11111111 -0.4361 6 C 0.6304 0.4331 -0.3632 C.2 1 UNL11111111 0.4428 7 O 0.7408 1.0519 -1.3906 O.2 1 UNL11111111 -0.4552 8 C -0.7268 0.1237 0.2401 C.3 1 UNL11111111 -0.2156 9 C -1.7343 1.2172 -0.1442 C.3 1 UNL11111111 -0.2574 10 C -3.1194 0.8838 0.4207 C.3 1 UNL11111111 -0.2639 11 C -3.5924 -0.4839 -0.0904 C.3 1 UNL11111111 -0.2632 12 C -2.5787 -1.5780 0.2715 C.3 1 UNL11111111 -0.2587 13 C -1.1938 -1.2408 -0.2963 C.3 1 UNL11111111 -0.2608 14 H 4.5852 -0.5391 0.9200 H 1 UNL11111111 0.1413 15 H 3.8418 -2.0381 0.3490 H 1 UNL11111111 0.1403 16 H 4.9888 -1.1718 -0.6775 H 1 UNL11111111 0.1423 17 H 3.3821 0.7618 -0.8996 H 1 UNL11111111 0.1518 18 H 2.6804 -0.7293 -1.5092 H 1 UNL11111111 0.1448 19 H 1.3147 1.0258 2.2065 H 1 UNL11111111 0.1421 20 H 3.0259 0.6031 2.0919 H 1 UNL11111111 0.1526 21 H 2.3774 1.9146 1.1024 H 1 UNL11111111 0.1562 22 H -0.6489 0.0741 1.3518 H 1 UNL11111111 0.1519 23 H -1.3904 2.2006 0.2239 H 1 UNL11111111 0.1361 24 H -1.7807 1.3125 -1.2483 H 1 UNL11111111 0.1586 25 H -3.0911 0.8863 1.5258 H 1 UNL11111111 0.1331 26 H -3.8434 1.6677 0.1322 H 1 UNL11111111 0.1325 27 H -4.5820 -0.7266 0.3363 H 1 UNL11111111 0.1279 28 H -3.7314 -0.4475 -1.1873 H 1 UNL11111111 0.1392 29 H -2.5212 -1.6901 1.3701 H 1 UNL11111111 0.1344 30 H -2.9190 -2.5547 -0.1185 H 1 UNL11111111 0.1313 31 H -1.2359 -1.2154 -1.4032 H 1 UNL11111111 0.1507 32 H -0.4697 -2.0319 -0.0313 H 1 UNL11111111 0.1304 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 3 5 1 5 3 6 1 6 6 7 2 7 6 8 1 8 8 9 1 9 9 10 1 10 10 11 1 11 11 12 1 12 12 13 1 13 8 13 1 14 1 14 1 15 1 15 1 16 1 16 1 17 2 17 1 18 2 18 1 19 5 19 1 20 5 20 1 21 5 21 1 22 8 22 1 23 9 23 1 24 9 24 1 25 10 25 1 26 10 26 1 27 11 27 1 28 11 28 1 29 12 29 1 30 12 30 1 31 13 31 1 32 13 32 1